16-Hydroxy-3-methoxy-18,19-dinorpregna-1,3,5(10)-trien-20-one
TL;DR: 16-Hydroxy-3-methoxy-18,19-dinorpregna-1,3,5(10)-trien-20-one (CAS 4147-09-5) is a chemical compound with molecular formula C20H26O3 and molecular weight 314.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(8S,9S,13S,14S,17R)-16-hydroxy-3-methoxy-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl]ethanone
Also Known As: 16-Hydroxy-3-methoxy-18,19-dinorpregna-1,3,5(10)-trien-20-one, 18,19-Dinorpregna-1,3,5(10)-trien-20-one, 16-hydroxy-3-methoxy-, 1-[16-Hydroxy-3-methoxygona-1(10),2,4-trien-17-yl]ethan-1-one, 1-[16-Hydroxy-3-methoxygona-1(10),2,4-trien-17beta-yl]ethan-1-one, 1-[(8S,9S,13S,14S,17R)-16-hydroxy-3-methoxy-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl]ethanone
| Molecular Formula | C20H26O3 |
|---|---|
| Molecular Weight | 314.19 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.1882 |
| Heavy Atoms | 23 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 4147-09-5 |
|---|---|
| SMILES | CC(=O)[C@@H]1[C@H]2CC[C@H]3[C@H]([C@@H]2CC1O)CCC4=C3C=CC(=C4)OC |
| InChIKey | HZVJBVQCOPZSEK-WDGJFMAUSA-N |
Product Overview
16-Hydroxy-3-methoxy-18,19-dinorpregna-1,3,5(10)-trien-20-one (CAS 4147-09-5), with molecular formula C20H26O3 and molecular weight 314.19 g/mol. IUPAC: 1-[(8S,9S,13S,14S,17R)-16-hydroxy-3-methoxy-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl]ethanone.
Chemical Property Profile of 16-Hydroxy-3-methoxy-18,19-dinorpregna-1,3,5(10)-trien-20-one
Property Insights of 16-Hydroxy-3-methoxy-18,19-dinorpregna-1,3,5(10)-trien-20-one
The XLogP value of 3.9 indicates that 16-Hydroxy-3-methoxy-18,19-dinorpregna-1,3,5(10)-trien-20-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 16-Hydroxy-3-methoxy-18,19-dinorpregna-1,3,5(10)-trien-20-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 16-Hydroxy-3-methoxy-18,19-dinorpregna-1,3,5(10)-trien-20-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 16-Hydroxy-3-methoxy-18,19-dinorpregna-1,3,5(10)-trien-20-one?
The CAS number of 16-Hydroxy-3-methoxy-18,19-dinorpregna-1,3,5(10)-trien-20-one is 4147-09-5.
What is the molecular formula of 16-Hydroxy-3-methoxy-18,19-dinorpregna-1,3,5(10)-trien-20-one?
The molecular formula of 16-Hydroxy-3-methoxy-18,19-dinorpregna-1,3,5(10)-trien-20-one is C20H26O3.
What is the molecular weight of 16-Hydroxy-3-methoxy-18,19-dinorpregna-1,3,5(10)-trien-20-one?
The molecular weight of 16-Hydroxy-3-methoxy-18,19-dinorpregna-1,3,5(10)-trien-20-one is 314.19 g/mol.
Where can I buy 16-Hydroxy-3-methoxy-18,19-dinorpregna-1,3,5(10)-trien-20-one?
You can request a quote for 16-Hydroxy-3-methoxy-18,19-dinorpregna-1,3,5(10)-trien-20-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16-Hydroxy-3-methoxy-18,19-dinorpregna-1,3,5(10)-trien-20-one?
Yes, KEHONG BIO provides custom synthesis services for 16-Hydroxy-3-methoxy-18,19-dinorpregna-1,3,5(10)-trien-20-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.